5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

C17H23N5OS — CID 59857216

IUPAC5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCCN3CCCCC3)s2)n1
InChIInChI=1S/C17H23N5OS/c1-18-17-20-8-7-13(21-17)14-5-6-15(24-14)16(23)19-9-12-22-10-3-2-4-11-22/h5-8H,2-4,9-12H2,1H3,(H,19,23)(H,18,20,21)
InChIKeyINKVUIMEZCZJDU-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.46
Rot. Bonds6

About 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 59857216) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID59857216
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCCN3CCCCC3)s2)n1
InChIInChI=1S/C17H23N5OS/c1-18-17-20-8-7-13(21-17)14-5-6-15(24-14)16(23)19-9-12-22-10-3-2-4-11-22/h5-8H,2-4,9-12H2,1H3,(H,19,23)(H,18,20,21)
InChIKeyINKVUIMEZCZJDU-UHFFFAOYSA-N
XLogP2.46
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methylamino)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 143117582
N-[2-(4-bromophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 11718648
N-[2-(2-methoxyphenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 59857102
N-[(2S)-2-amino-2-phenylethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 11501248
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
CID 59468445
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 59857154
5-[2-(methylamino)pyrimidin-4-yl]-N-quinolin-2-ylthiophene-2-carboxamide
CID 59857162
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
N-[3-(azepan-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119636

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (CID 59857216) is 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is CNc1nccc(-c2ccc(C(=O)NCCN3CCCCC3)s2)n1.
What is the InChIKey of 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is INKVUIMEZCZJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-18-17-20-8-7-13(21-17)14-5-6-15(24-14)16(23)19-9-12-22-10-3-2-4-11-22/h5-8H,2-4,9-12H2,1H3,(H,19,23)(H,18,20,21).
What are the key properties of 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 59857216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).